Compound Detail
CHEMBL359414
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Basic Information
| ChEMBL ID | CHEMBL359414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRJWBVXPWDSRDR-UKRRQHHQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.11
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Dopamine receptor CHEMBL2096970 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 4500.0 | nM | 5.35 | In vitro binding affinity towards dopamine receptor was determined in rat striat... | 6834383 |
| Dopamine receptor | IC50 | = | 4800.0 | nM | 5.32 | In vitro binding affinity towards dopamine receptor was determined in bovine ant... | 6834383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6834383 | 10.1021/jm00358a012 | Rattus norvegicus | 5 |
| 6834383 | 10.1021/jm00358a012 | Dopamine receptor | 2 |
| 6834383 | 10.1021/jm00358a012 | Canis familiaris | 1 |
| 6834383 | 10.1021/jm00358a012 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine